2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole

C₇H₉NS — CID 57305421

About 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole

2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole (PubChem CID 57305421) has the molecular formula C₇H₉NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
• PubChem CID: 57305421
• Molecular Formula: C₇H₉NS
• Molecular Weight: 139.22 g/mol
• Exact Mass: 139.05
• IUPAC Name: 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
• SMILES: C/C=C/c1cnc(C)s1
• InChI: InChI=1S/C7H9NS/c1-3-4-7-5-8-6(2)9-7/h3-5H,1-2H3/b4-3+
• InChIKey: ZPLXUQBRSKTWOV-ONEGZZNKSA-N
• XLogP: 2.48
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	139.22
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?

The IUPAC name of 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole (CID 57305421) is 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole.

What is the SMILES notation for 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?

The canonical SMILES for 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole is C/C=C/c1cnc(C)s1.

What is the InChIKey of 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?

The InChIKey is ZPLXUQBRSKTWOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-4-7-5-8-6(2)9-7/h3-5H,1-2H3/b4-3+.

What are the key properties of 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?

2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 57305421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57305421 — identifiers, structure, computed properties (public domain)

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